(2S)-4-amino-1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylbutan-2-ol

C19H19F6NO2 — CID 11625637

IUPAC(2S)-4-amino-1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylbutan-2-ol
SMILESNCC[C@@](O)(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C19H19F6NO2/c20-18(21,22)15-8-13(9-16(10-15)19(23,24)25)11-28-12-17(27,6-7-26)14-4-2-1-3-5-14/h1-5,8-10,27H,6-7,11-12,26H2/t17-/m1/s1
InChIKeyVCAOZTXKOHSQIV-QGZVFWFLSA-N
MW407.35 g/mol
LogP4.48
Rot. Bonds7

About (2S)-4-amino-1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylbutan-2-ol

(2S)-4-amino-1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylbutan-2-ol (PubChem CID 11625637) has the molecular formula C19H19F6NO2 and a molecular weight of 407.35 g/mol. Its IUPAC name is (2S)-4-amino-1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylbutan-2-ol.

Molecular Properties

Compound Name(2S)-4-amino-1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylbutan-2-ol
PubChem CID11625637
Molecular FormulaC19H19F6NO2
Molecular Weight407.35 g/mol
Exact Mass407.13
IUPAC Name(2S)-4-amino-1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylbutan-2-ol
SMILESNCC[C@@](O)(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C19H19F6NO2/c20-18(21,22)15-8-13(9-16(10-15)19(23,24)25)11-28-12-17(27,6-7-26)14-4-2-1-3-5-14/h1-5,8-10,27H,6-7,11-12,26H2/t17-/m1/s1
InChIKeyVCAOZTXKOHSQIV-QGZVFWFLSA-N
XLogP4.48
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.35
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-amino-1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylbutan-2-ol?
The IUPAC name of (2S)-4-amino-1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylbutan-2-ol (CID 11625637) is (2S)-4-amino-1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylbutan-2-ol.
What is the SMILES notation for (2S)-4-amino-1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylbutan-2-ol?
The canonical SMILES for (2S)-4-amino-1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylbutan-2-ol is NCC[C@@](O)(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of (2S)-4-amino-1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylbutan-2-ol?
The InChIKey is VCAOZTXKOHSQIV-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H19F6NO2/c20-18(21,22)15-8-13(9-16(10-15)19(23,24)25)11-28-12-17(27,6-7-26)14-4-2-1-3-5-14/h1-5,8-10,27H,6-7,11-12,26H2/t17-/m1/s1.
What are the key properties of (2S)-4-amino-1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylbutan-2-ol?
(2S)-4-amino-1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylbutan-2-ol has a molecular weight of 407.35 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-amino-1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylbutan-2-ol is sourced from PubChem (CID 11625637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).